SCHEMBL77635

SCHEMBL77635

COc1ccc(OC(=O)Nc2nc(C(C)(C)C)cs2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.70
MAPK1 P28482 3/20 0.56
ALDH1A1 P00352 8/20 0.53
NPC1 O15118 7/20 0.53
RAB9A P51151 7/20 0.53
MEN1 O00255 7/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
POLB P06746 2/20 0.53
TAS1R3 Q7RTX0 1/20 0.53
TAS1R1 Q7RTX1 1/20 0.53
TAS1R2 Q8TE23 1/20 0.53
LMNA P02545 5/20 0.52
NPSR1 Q6W5P4 3/20 0.52
HPGD P15428 3/20 0.52
HSD17B10 Q99714 2/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
ATAD2 Q6PL18 1/20 0.51
HTT P42858 3/20 0.51
KDM4E B2RXH2 3/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL77735 0.90 KMT2A (0.57) KMT2AMAPK1ALDH1A1NPC1RAB9A
SCHEMBL78768 0.88 FFAR2 (0.60) KMT2AMAPK1ALDH1A1NPC1RAB9A
SCHEMBL77454 0.88 NPC1 (0.65) KMT2AMAPK1ALDH1A1NPC1RAB9A
SCHEMBL77204 0.85 SMN1; SMN2 (0.70) KMT2AMAPK1ALDH1A1NPC1RAB9A
SCHEMBL1464284 0.80 KMT2A (0.61) KMT2AMAPK1ALDH1A1NPC1RAB9A
SCHEMBL2901557 0.80 KMT2A (0.61) KMT2AMAPK1ALDH1A1NPC1RAB9A
SCHEMBL14302166 0.80 KMT2A (0.61) KMT2AMAPK1ALDH1A1NPC1RAB9A
SCHEMBL77071 0.78 KMT2A (0.69) KMT2AMAPK1ALDH1A1NPC1RAB9A
SCHEMBL10081817 0.78 TP53 (0.54) KMT2AMAPK1ALDH1A1NPC1RAB9A
SCHEMBL2892407 0.77 NR3C1 (0.67) KMT2AMAPK1ALDH1A1NPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129415-B2 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2012-03-06 US disclosed
US-8129415-B2 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2012-03-06 US disclosed
US-20090192196-A1 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2009-07-30 US disclosed
US-20090192196-A1 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2009-07-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090192196-A1 Fungicide hydroximoyl-tetrazole derivatives HAAO, HAO1, CYP51A1 KMT2A 609/4885MAPK1 2712/4885ALDH1A1 1530/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.